4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C106H122BBr6Cl3N12O11 — CID 159995332

About 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 159995332) has the molecular formula C106H122BBr6Cl3N12O11 and a molecular weight of 2336.81 g/mol. Its IUPAC name is 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
• PubChem CID: 159995332
• Molecular Formula: C106H122BBr6Cl3N12O11
• Molecular Weight: 2336.81 g/mol
• Exact Mass: 2328.36
• IUPAC Name: 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
• SMILES: CC(C)(C)c1cc(Br)ccn1.CC(C)(CO)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(CO)c1cc(Br)ccn1.CC(C)(CO)c1cc(Br)ccn1.CC1(C)OB(c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)OC1(C)C.CCc1cc(Br)ccn1.Cc1cc(Br)ccn1.O=C(c1ccc(-c2cncc(Br)c2)c(Cl)c1)N1CCC(O)CC1
• InChI: InChI=1S/C26H28ClN3O3.C23H28BClN2O4.C17H16BrClN2O2.2C9H12BrNO.C9H12BrN.C7H8BrN.C6H6BrN/c1-26(2,16-31)24-13-17(5-8-29-24)19-11-20(15-28-14-19)22-4-3-18(12-23(22)27)25(33)30-9-6-21(32)7-10-30;1-22(2)23(3,4)31-24(30-22)17-11-16(13-26-14-17)19-6-5-15(12-20(19)25)21(29)27-9-7-18(28)8-10-27;18-13-7-12(9-20-10-13)15-2-1-11(8-16(15)19)17(23)21-5-3-14(22)4-6-21;2*1-9(2,6-12)8-5-7(10)3-4-11-8;1-9(2,3)8-6-7(10)4-5-11-8;1-2-7-5-6(8)3-4-9-7;1-5-4-6(7)2-3-8-5/h3-5,8,11-15,21,31-32H,6-7,9-10,16H2,1-2H3;5-6,11-14,18,28H,7-10H2,1-4H3;1-2,7-10,14,22H,3-6H2;2*3-5,12H,6H2,1-2H3;4-6H,1-3H3;3-5H,2H2,1H3;2-4H,1H3
• InChIKey: OHLWYLZMVNVCMM-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 316.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2336.81
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

The IUPAC name of 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 159995332) is 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is CC(C)(C)c1cc(Br)ccn1.CC(C)(CO)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.CC(C)(CO)c1cc(Br)ccn1.CC(C)(CO)c1cc(Br)ccn1.CC1(C)OB(c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)OC1(C)C.CCc1cc(Br)ccn1.Cc1cc(Br)ccn1.O=C(c1ccc(-c2cncc(Br)c2)c(Cl)c1)N1CCC(O)CC1.

What is the InChIKey of 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

The InChIKey is OHLWYLZMVNVCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3.C23H28BClN2O4.C17H16BrClN2O2.2C9H12BrNO.C9H12BrN.C7H8BrN.C6H6BrN/c1-26(2,16-31)24-13-17(5-8-29-24)19-11-20(15-28-14-19)22-4-3-18(12-23(22)27)25(33)30-9-6-21(32)7-10-30;1-22(2)23(3,4)31-24(30-22)17-11-16(13-26-14-17)19-6-5-15(12-20(19)25)21(29)27-9-7-18(28)8-10-27;18-13-7-12(9-20-10-13)15-2-1-11(8-16(15)19)17(23)21-5-3-14(22)4-6-21;2*1-9(2,6-12)8-5-7(10)3-4-11-8;1-9(2,3)8-6-7(10)4-5-11-8;1-2-7-5-6(8)3-4-9-7;1-5-4-6(7)2-3-8-5/h3-5,8,11-15,21,31-32H,6-7,9-10,16H2,1-2H3;5-6,11-14,18,28H,7-10H2,1-4H3;1-2,7-10,14,22H,3-6H2;2*3-5,12H,6H2,1-2H3;4-6H,1-3H3;3-5H,2H2,1H3;2-4H,1H3.

What are the key properties of 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?

4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 2336.81 g/mol, XLogP of 23.32, 15 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-tert-butylpyridine;4-bromo-2-ethylpyridine;4-bromo-2-methylpyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;bis(2-(4-bromo-2-pyridinyl)-2-methylpropan-1-ol);[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 159995332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).